5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one

C17H16N2O2 — CID 59837928

IUPAC5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one
SMILESCCc1cc(O)cc2ncn(-c3ccc(C)cc3)c(=O)c12
InChIInChI=1S/C17H16N2O2/c1-3-12-8-14(20)9-15-16(12)17(21)19(10-18-15)13-6-4-11(2)5-7-13/h4-10,20H,3H2,1-2H3
InChIKeyCMKNEPJBLXMZPC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.96
Rot. Bonds2

About 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one

5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one (PubChem CID 59837928) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one
PubChem CID59837928
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one
SMILESCCc1cc(O)cc2ncn(-c3ccc(C)cc3)c(=O)c12
InChIInChI=1S/C17H16N2O2/c1-3-12-8-14(20)9-15-16(12)17(21)19(10-18-15)13-6-4-11(2)5-7-13/h4-10,20H,3H2,1-2H3
InChIKeyCMKNEPJBLXMZPC-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one (CID 59837928) is 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one is CCc1cc(O)cc2ncn(-c3ccc(C)cc3)c(=O)c12.
What is the InChIKey of 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one?
The InChIKey is CMKNEPJBLXMZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-12-8-14(20)9-15-16(12)17(21)19(10-18-15)13-6-4-11(2)5-7-13/h4-10,20H,3H2,1-2H3.
What are the key properties of 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one?
5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 59837928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).